Compound Detail
CHEMBL593897
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Basic Information
| ChEMBL ID | CHEMBL593897 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QXUOSGAFYZBCAK-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
251.3
MW (Da)
3.05
ALogP
2
HBA
1
HBD
23.5
PSA (Ų)
0.78
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 7.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(1B) dopamine receptor CHEMBL1850 | Ki | 7.39 | 7.39 | 41.1 | 1 |
| D(1A) dopamine receptor CHEMBL2056 | Ki | 6.87 | 6.87 | 136.0 | 1 |
| D(3) dopamine receptor CHEMBL234 | Ki | 6.51 | 6.51 | 306.5 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 6.31 | 6.31 | 486.0 | 1 |
| D(4) dopamine receptor CHEMBL219 | Ki | 5.29 | 5.29 | 5092.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(1B) dopamine receptor | Ki | = | 41.1 | nM | 7.39 | Displacement of [3H]SCH23390 from human dopamine D5 receptor expressed in CHO ce... | 19744859 |
| D(1A) dopamine receptor | Ki | = | 136.0 | nM | 6.87 | Displacement of [3H]SCH23390 from human dopamine D1 receptor expressed in CHO ce... | 19744859 |
| D(3) dopamine receptor | Ki | = | 306.5 | nM | 6.51 | Displacement of [3H]spiperone from human dopamine D3 receptor expressed in CHO c... | 19744859 |
| D(2) dopamine receptor | Ki | = | 486.0 | nM | 6.31 | Displacement of [3H]spiperone from human dopamine D2L receptor expressed in CHO ... | 19744859 |
| D(4) dopamine receptor | Ki | = | 5092.0 | nM | 5.29 | Displacement of [3H]spiperone from human dopamine D4 receptor expressed in CHO c... | 19744859 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19744859 | 10.1016/j.bmc.2009.08.028 | D(1A) dopamine receptor | 3 |
| 19744859 | 10.1016/j.bmc.2009.08.028 | D(2) dopamine receptor | 3 |
| 19744859 | 10.1016/j.bmc.2009.08.028 | D(3) dopamine receptor | 1 |
| 19744859 | 10.1016/j.bmc.2009.08.028 | D(4) dopamine receptor | 1 |
| 19744859 | 10.1016/j.bmc.2009.08.028 | D(1B) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine